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PUBCHEM-ZINC05383736

 MMsINC code: MMs03253735
Type: Neutral
Formula: C9H17ClN2O2
SMILES:   ClCC(=O)NC(C(C)(C)C)C(=O)NC
InChI:   InChI=1/C9H17ClN2O2/c1-9(2,3)7(8(14)11-4)12-6(13)5-10/h7H,5H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=56.4195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.7 g/mol  logS: -1.63348  SlogP: 0.5021  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.186414  Sterimol/B1: 1.969  Sterimol/B2: 3.21964  Sterimol/B3: 4.88997
  Sterimol/B4: 5.31878  Sterimol/L: 12.9658 
 
 Surface and Volume Properties
  Accessible surface: 419.905  Positive charged surface: 269.526  Negative charged surface: 150.378  Volume: 208.875
  Hydrophobic surface: 238.796  Hydrophilic surface: 181.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.